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116333-47-2 | 1H-Imidazole, 5-nitroso-
CAS No: 116333-47-2 Catalog No: AG000C80 MDL No:
Product Description
Catalog Number:
AG000C80
Chemical Name:
1H-Imidazole, 5-nitroso-
CAS Number:
116333-47-2
Molecular Formula:
C3H3N3O
Molecular Weight:
97.0754
IUPAC Name:
5-nitroso-1H-imidazole
InChI:
InChI=1S/C3H3N3O/c7-6-3-1-4-2-5-3/h1-2H,(H,4,5)
InChI Key:
CHOXHAVAKAHYNS-UHFFFAOYSA-N
SMILES:
O=Nc1cnc[nH]1
Properties
Complexity:
74.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.028g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.077g/mol
Monoisotopic Mass:
97.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Nitroimidazole action in Entamoeba histolytica: a central role for thioredoxin reductase. | PLoS biology 20070801 |
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